[1-[(3-bromanyl-4-methoxy-phenyl)methyl]piperidin-2-yl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [1-[(3-bromanyl-4-methoxy-phenyl)methyl]piperidin-2-yl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: [1-[(3-bromo-4-methoxy-phenyl)methyl]-2-piperidyl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridinyl)-1-piperazinecarboxylic acid [1-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-2-yl]methyl 4-(5-cyano-3-ethoxycarbonyl-6-methylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-carbethoxy-5-cyano-6-methyl-2-pyridyl)piperazine-1-carboxylic acid [1-(3-bromo-4-methoxy-benzyl)-2-piperidyl]methyl ester Formula: C29H36BrN5O5 MolecularWeight: 614.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCC3CCCCN3CC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCC3CCCCN3CC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C29H36BrN5O5/c1-4-39-28(36)24-16-22(17-31)20(2)32-27(24)33-11-13-34(14-12-33)29(37)40-19-23-7-5-6-10-35(23)18-21-8-9-26(38-3)25(30)15-21/h8-9,15-16,23H,4-7,10-14,18-19H2,1-3H3